HRID2159891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID262261

4'-Chloro[1,1'-biphenyl]-2-amine

C12H10ClN

HCID2775665

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C6H5F3N2O2

PRODUCTS

生成物

结构：Cn1cc(C(=O)Nc2ccccc2-c2ccc(Cl)cc2)c(C(F)(F)F)n1

HCID58799476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30c228214b7e4e7c87a95306f043c635
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:35]([Cl:36])[Cl:37].[CH3:1][n:2]1[n:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:7](=[O:8])[OH:9])[cH:6]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl-:20].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[c:29]([NH2:34])[cH:30][cH:31][cH:32][cH:33]2)[cH:26][cH:27]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH3:1][n:2]1[n:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:7](=[O:8])[NH:34][c:29]2[c:28](-[c:25]3[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]3)[cH:33][cH:32][cH:31][cH:30]2)[cH:6]1